相关论文: On the difference between variational and unitary …
An implementation of the coupled-cluster single- and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches for two to…
Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building blocks of quantitative descriptions of the electronic…
Time-dependent response theories are foundational to the development of algorithms that determine quantum properties of electronic excited states of molecules and periodic systems. They are employed in wave-function, density-functional, and…
We extend the variational cluster approach to deal with strongly correlated lattice bosons in the superfluid phase. To this end, we reformulate the approach within a pseudoparticle formalism, whereby cluster excitations are described by…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling…
We derive equations of motion for bivariational wave functions with orthogonal adaptive basis sets and specialize the formalism to the coupled cluster ansatz. The equations are related to the biorthogonal case in a transparent way, and…
We present the results of a series of one-dimensional N-body and hydrodynamical simulations which have been used for testing the different clustering properties of baryonic and dark matter in an expanding background. Initial Gaussian random…
A variational method is discussed, extending the Gaussian effective potential to higher orders. The single variational parameter is replaced by trial unknown two-point functions, with infinite variational parameters to be optimized by the…
Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quadratic $T_2^2$ terms that typically balance out small energy…
The Lee-Wick models are higher-derivative theories that are claimed to be unitary thanks to a peculiar cancelation mechanism. In this paper, we provide a new formulation of the models, to clarify several aspects that have remained quite…
We revisit the long-standing conjecture that in unitary field theories, scale invariance implies conformality. We explain why the Zamolodchikov-Polchinski proof in D=2 does not work in higher dimensions. We speculate which new ideas might…
We prove that the amplitudes for the (d,p), (d,pn) and (e,e'p) reactions determining the asymptotic behavior of the exact scattering wave functions in the corresponding channels are invariant under unitary correlation operators while the…
According to a fundamental result in quantum computing, any unitary transformation on a composite system can be generated using so-called 2-local unitaries that act only on two subsystems. Beyond its importance in quantum computing, this…
Using the variational cluster approach (VCA), we study the transition from the antiferromagnetic to the superconducting phase of the two-dimensional Hubbard model at zero temperature. Our calculations are based on a new method to evaluate…
We study the correlation energy associated with the pair fluctuations in BCS theory. We use a schematic two-level pairing model and discuss the behavior of the correlation energy across shell closures, including the even-odd differences. It…
Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly-correlated systems. On the other hand, single-reference methods such as configuration interaction or…
Motivated by recent experiments we have carried out an Event Driven computer simulation of a diluted binary mixture of granular particles vertically vibrated in the presence of gravity. The simulations not only confirm that the kinetic…
In strongly coupled field theories, perturbation theory cannot be employed to study the low-energy spectrum. Thus, non-perturbative techniques are required. We employ the variational method, a rigorous, non-perturbative approach which…
Nonperturbative polaron variational methods are applied, within the so-called particle or worldline representation of relativistic field theory, to study scattering in the context of the scalar Wick - Cutkosky model. Important features of…